2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole

C40H29N3 — CID 170236122

IUPAC2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccc(-c3cccnc3)cc2)c2ccccc12
InChIInChI=1S/C40H29N3/c1-2-38-42-35-18-8-10-20-37(35)43(38)36-19-9-7-17-34(36)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)28-23-21-27(22-24-28)29-12-11-25-41-26-29/h3-26H,2H2,1H3
InChIKeyRWZONMCPWFGBDP-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.29
Rot. Bonds5

About 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 170236122) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID170236122
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccc(-c3cccnc3)cc2)c2ccccc12
InChIInChI=1S/C40H29N3/c1-2-38-42-35-18-8-10-20-37(35)43(38)36-19-9-7-17-34(36)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)28-23-21-27(22-24-28)29-12-11-25-41-26-29/h3-26H,2H2,1H3
InChIKeyRWZONMCPWFGBDP-UHFFFAOYSA-N
XLogP10.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793
2-ethyl-1-[4-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 170236117
2-ethyl-1-[2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169071506
2-ethyl-1-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169071719
CID 174118857
CID 174118857
2-ethyl-1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235869
1-[2-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 169070522
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
2-ethyl-1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 169070062
2-(1,1,2,2,2-pentadeuterioethyl)-1-[2-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070441
CID 174119126
CID 174119126
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 170236122) is 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccc(-c3cccnc3)cc2)c2ccccc12.
What is the InChIKey of 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is RWZONMCPWFGBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-2-38-42-35-18-8-10-20-37(35)43(38)36-19-9-7-17-34(36)40-32-15-5-3-13-30(32)39(31-14-4-6-16-33(31)40)28-23-21-27(22-24-28)29-12-11-25-41-26-29/h3-26H,2H2,1H3.
What are the key properties of 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole?
2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 551.69 g/mol, XLogP of 10.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 170236122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).